| SpectraBase Compound ID | CfikbC0gZ8r |
|---|---|
| InChI | InChI=1S/C18H21NO2/c1-19(2)17(18(20)21-3)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3/t17-/m0/s1 |
| InChIKey | NTFBDQUIESADCN-KRWDZBQOSA-N |
| Mol Weight | 283.37 g/mol |
| Molecular Formula | C18H21NO2 |
| Exact Mass | 283.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2mSHJyR4jsj |
|---|---|
| Name | .beta.-Phenyl-L-phenylalanine, N,N-dimethyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.157228918 u |
| Formula | C18H21NO2 |
| InChI | InChI=1S/C18H21NO2/c1-19(2)17(18(20)21-3)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3/t17-/m0/s1 |
| InChIKey | NTFBDQUIESADCN-KRWDZBQOSA-N |
| SMILES | [C@@](N(C)C)(C(C1=CC=CC=C1)C1=CC=CC=C1)(C(=O)OC)[H] |